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C2400 Sigma-Aldrich

5α-Cholanic acid-3α-ol-6-one 3-acetate methyl ester

~97%

Synonym: 3α-Hydroxy-6-oxo-5α-cholan-24-oic acid methyl ester 3-acetate, Methyl 3α-acetoxy-6-oxo-5α-cholanate

  • CAS Number 2616-79-7

  • Empirical Formula (Hill Notation) C27H42O5

  • Molecular Weight 446.62

  •  MDL number MFCD00056455

  •  PubChem Substance ID 24892325

  •  NACRES NA.77

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Properties

Related Categories Bile acids and Derivatives, Bioactive Small Molecule Alphabetical Index, Bioactive Small Molecules, Biochemicals and Reagents, C-CH,
Quality Level   100
assay   ~97%
SMILES string   [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC(=O)[C@@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(C)=O)[C@H](C)CCC(=O)OC
InChI   1S/C27H42O5/c1-16(6-9-25(30)31-5)20-7-8-21-19-15-24(29)23-14-18(32-17(2)28)10-12-27(23,4)22(19)11-13-26(20,21)3/h16,18-23H,6-15H2,1-5H3/t16-,18-,19+,20-,21+,22+,23-,26-,27-/m1/s1
InChI key   KCGQCQPWFSUPDS-SFESAZTESA-N

Description

Packaging

500 mg in poly bottle

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Protocols & Articles
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